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Yu Harabuchi

Showing results (1-10 of 66) with videos related to

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Journal of Chemical Theory and Computation|March 13, 2019
On Benchmarking of Automated Methods for Performing Exhaustive Reaction Path SearchSatoshi Maeda, Yu Harabuchi
Physical Chemistry Chemical Physics : PCCP|August 15, 2015
Exploration of minimum energy conical intersection structures of small polycyclic aromatic hydrocarbons: toward an understanding of the size dependence of fluorescence quantum yieldsYu Harabuchi, Tetsuya Taketsugu, Satoshi Maeda
Physical Chemistry Chemical Physics : PCCP|July 2, 2020
AFIR explorations of transition states of extended unsaturated systems: automatic location of ambimodal transition statesTakuma Ito, Yu Harabuchi, Satoshi Maeda
Journal of Chemical Theory and Computation|February 5, 2024
Exploring Downhill Bifurcations in [3,3]-Sigmatropic Rearrangement by Finding Transitions from an Uphill Bifurcation to a Downhill BifurcationTakuma Ito, Satoshi Maeda, Yu Harabuchi
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|January 24, 2018
Exploring radiative and nonradiative decay paths in indole, isoindole, quinoline, and isoquinolineYu Harabuchi, Kenichiro Saita, Satoshi Maeda
Chemical Science|June 7, 2021
Discovery of a synthesis method for a difluoroglycine derivative based on a path generated by quantum chemical calculationsTsuyoshi Mita, Yu Harabuchi, Satoshi Maeda
Journal of Chemical Theory and Computation|January 31, 2022
Kinetic Analysis of a Reaction Path Network Including Ambimodal Transition States: A Case Study of an Intramolecular Diels-Alder ReactionTakuma Ito, Satoshi Maeda, Yu Harabuchi
Journal of Computational Chemistry|April 3, 2020
Trajectory on-the-fly molecular dynamics approach to tunneling splitting in the electronic excited state: A case of tropoloneYusuke Ootani, Aya Satoh, Yu Harabuchi, et al.
Annual Review of Physical Chemistry|January 31, 2023
Toward Ab Initio Reaction Discovery Using the Artificial Force Induced Reaction MethodSatoshi Maeda, Yu Harabuchi, Hiroki Hayashi, et al.
Physical Chemistry Chemical Physics : PCCP|June 20, 2013
Photophysics of cytosine tautomers: new insights into the nonradiative decay mechanisms from MS-CASPT2 potential energy calculations and excited-state molecular dynamics simulationsAkira Nakayama, Yu Harabuchi, Shohei Yamazaki, et al.
Pageof 7

Showing results (1-10 of 66) with videos related to

Sort By:
Pageof 7
Journal of Chemical Theory and Computation|March 13, 2019
On Benchmarking of Automated Methods for Performing Exhaustive Reaction Path SearchSatoshi Maeda, Yu Harabuchi
Physical Chemistry Chemical Physics : PCCP|August 15, 2015
Exploration of minimum energy conical intersection structures of small polycyclic aromatic hydrocarbons: toward an understanding of the size dependence of fluorescence quantum yieldsYu Harabuchi, Tetsuya Taketsugu, Satoshi Maeda
Physical Chemistry Chemical Physics : PCCP|July 2, 2020
AFIR explorations of transition states of extended unsaturated systems: automatic location of ambimodal transition statesTakuma Ito, Yu Harabuchi, Satoshi Maeda
Journal of Chemical Theory and Computation|February 5, 2024
Exploring Downhill Bifurcations in [3,3]-Sigmatropic Rearrangement by Finding Transitions from an Uphill Bifurcation to a Downhill BifurcationTakuma Ito, Satoshi Maeda, Yu Harabuchi
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|January 24, 2018
Exploring radiative and nonradiative decay paths in indole, isoindole, quinoline, and isoquinolineYu Harabuchi, Kenichiro Saita, Satoshi Maeda
Chemical Science|June 7, 2021
Discovery of a synthesis method for a difluoroglycine derivative based on a path generated by quantum chemical calculationsTsuyoshi Mita, Yu Harabuchi, Satoshi Maeda
Journal of Chemical Theory and Computation|January 31, 2022
Kinetic Analysis of a Reaction Path Network Including Ambimodal Transition States: A Case Study of an Intramolecular Diels-Alder ReactionTakuma Ito, Satoshi Maeda, Yu Harabuchi
Journal of Computational Chemistry|April 3, 2020
Trajectory on-the-fly molecular dynamics approach to tunneling splitting in the electronic excited state: A case of tropoloneYusuke Ootani, Aya Satoh, Yu Harabuchi, et al.
Annual Review of Physical Chemistry|January 31, 2023
Toward Ab Initio Reaction Discovery Using the Artificial Force Induced Reaction MethodSatoshi Maeda, Yu Harabuchi, Hiroki Hayashi, et al.
Physical Chemistry Chemical Physics : PCCP|June 20, 2013
Photophysics of cytosine tautomers: new insights into the nonradiative decay mechanisms from MS-CASPT2 potential energy calculations and excited-state molecular dynamics simulationsAkira Nakayama, Yu Harabuchi, Shohei Yamazaki, et al.
Pageof 7